Table 3.

The molecular descriptors involved in the ERM-MLR models and their corresponding definition.

Symbol	Class	Definition
H5m	GETAWAY descriptors	H autocorrelation of lag 5/weighted by atomic masses
SIC2	information indices	structural information content (neighborhood symmetry of
		2-order) information indices
DISPe	geometrical descriptors	d COMMA2 value/weighted by atomic Sanderson
		electronegativities
Mor03u	3D-MoRSE descriptors	Mor03u 3D-MoRSE - signal 03/unweighted
L3m	WHIM descriptors	3rd component size directional WHIM index/weighted by
		atomic masses